(E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromanylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromanylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromo-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-(5-bromo-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-(5-bromo-2-thienyl)prop-2-en-1-one Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=C(S4)Br

InChI

InChI=1S/C19H18BrN3OS2/c20-17-7-5-14(25-17)6-8-19(24)23-11-9-22(10-12-23)13-18-21-15-3-1-2-4-16(15)26-18/h1-8H,9-13H2/b8-6+